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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20643 584966 1 ON2H12C13 AB2C12D13 44.41 7.66 -8.88 -0.86 0
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20644 584997 1 SiO2C24H26 AB2C24D26 -40.13 4.47 -8.36 -0.14 0
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20645 584998 1 OC13H18 AB13C18 -28.87 1.84 -8.8 0.35 0
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20646 585005 3 C5H8 A5B8 -21.97 0.07 -7.95 1.0 0
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20647 585009 1 N3O3C20H23 A3B3C20D23 -64.59 1.56 -8.96 -0.33 0
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20648 585010 1 O2N4C19H22 A2B4C19D22 -31.33 9.65 -9.3 -0.27 0
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20649 585011 1 O3N4F6H20C21 A3B4C6D20E21 -343.88 5.84 -8.84 -1.08 0
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20650 585015 1 BrO3H11C14 AB3C11D14 -68.32 6.49 -9.32 -0.88 0
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20651 585016 1 NO3F5H12C13 AB3C5D12E13 -337.73 8.74 -9.44 -1.08 0
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20652 585019 1 N2F3O3C16H17 A2B3C3D16E17 -237.01 3.88 -9.09 -0.62 0
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20653 585022 1 O3C16H16 A3B16C16 -85.3 6.39 -8.91 -0.83 0
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20654 585026 1 O5C16H16 A5B16C16 -159.25 6.05 -9.12 -0.45 0
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20655 585027 1 FO2C15H15 AB2C15D15 -89.38 4.69 -9.28 -0.42 0
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20656 585031 1 OC15H22 AB15C22 -64.38 2.61 -9.2 0.26 0
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20657 585032 1 OC15H24 AB15C24 -72.6 3.1 -8.87 0.94 0
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20658 585033 1 OC15H26 AB15C26 -78.8 2.14 -8.85 1.5 0
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20659 585034 1 N2O4C21H22 A2B4C21D22 -137.64 1.85 -8.93 -0.52 0
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20660 585035 1 BrO3H11C14 AB3C11D14 -70.0 4.18 -9.27 -0.96 0
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20661 585038 1 OC15H24 AB15C24 -66.96 2.66 -8.94 0.72 0
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20662 585039 1 SO2C8H8 AB2C8D8 -62.77 4.38 -9.41 -0.95 0
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20663 585065 2 NO2C6H7 AB2C6D7 -97.28 3.04 -8.88 -0.11 0
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20664 585069 1 ClN2O3H17C18 AB2C3D17E18 -52.8 5.83 -9.03 -1.03 0
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20665 585072 1 NSO3C23H29 ABC3D23E29 -109.14 5.59 -9.01 -0.91 0
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20666 585078 2 OC6H9 AB6C9 -88.54 1.84 -9.01 0.83 0
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20667 585082 1 NSO3C21H31 ABC3D21E31 -157.45 6.27 -9.5 -0.13 0
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20668 585088 1 N2O3C20H22 A2B3C20D22 -68.95 3.3 -9.01 -0.15 0
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20669 585095 1 NOC8H9 ABC8D9 -13.38 1.67 -8.96 -0.09 0
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20670 585102 1 N2O4C21H24 A2B4C21D24 -101.73 3.01 -8.79 -0.17 0
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20671 585103 1 OC13H20 AB13C20 -61.03 3.53 -9.59 0.82 0
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20672 585107 1 O4N5C15H15 A4B5C15D15 53.84 10.0 -8.53 -1.49 0
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20673 585110 1 FN2O2C18H21 AB2C2D18E21 -109.25 1.2 -8.96 -0.87 0
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20674 585111 1 O2C9H12 A2B9C12 -70.19 1.95 -9.26 0.52 0
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20675 585120 1 NO3C22H29 AB3C22D29 -82.71 3.62 -8.6 -0.12 0
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20676 585125 2 OC9H10 AB9C10 -29.34 2.23 -8.57 0.28 0
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20677 585136 1 SN4C18H24 AB4C18D24 47.35 4.58 -8.9 -0.57 0
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20678 585141 1 O2C21H30 A2B21C30 -145.18 2.2 -10.07 1.01 0
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20679 585150 2 NC4H6 AB4C6 20.49 4.14 -8.62 0.32 0
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20680 585165 1 O2F5C14H17 A2B5C14D17 -366.77 3.49 -10.52 -0.46 0
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20681 585166 1 OSiF5C19H23 ABC5D19E23 -330.16 4.03 -10.03 -0.79 0
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20682 585170 1 BrN2O3H25C26 AB2C3D25E26 -70.68 1.96 -9.47 -1.05 0
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20683 585173 1 O2C19H26 A2B19C26 -103.82 6.41 -9.9 -0.75 0
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20684 585174 2 OC4H4 AB4C4 -65.55 3.93 -9.29 -0.82 0
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20685 585176 1 Cl2O2C13H18 A2B2C13D18 -130.67 3.11 -10.42 -0.58 0
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20686 585191 1 SN2O5C19H26 AB2C5D19E26 -140.19 1.14 -9.68 -1.4 0
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20687 585202 1 NSO4C17H23 ABC4D17E23 -153.84 3.47 -9.0 0.0 0
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20688 585204 1 OSiC21H38 ABC21D38 -140.78 2.37 -9.07 0.44 0
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20689 585205 1 SiCl3O3C11H17 AB3C3D11E17 -194.98 3.08 -9.19 -1.64 0
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20690 585207 1 OSiC23H42 ABC23D42 -149.4 2.13 -9.08 0.43 0
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20691 585218 1 NSiC10H16 ABC10D16 7.81 1.58 0.0 0.0 1
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20692 585220 1 O2N3C17H19 A2B3C17D19 1.67 5.1 -8.07 -0.42 0
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20693 585232 2 OC9H14 AB9C14 -144.21 1.69 -10.22 0.98 0
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20694 585237 1 BrO2C17H27 AB2C17D27 -146.05 0.44 -10.3 -0.09 0
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20695 585243 1 O4N5C10H13 A4B5C10D13 -108.89 0.67 -9.09 -0.53 0
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20696 585247 1 SO2C16H20 AB2C16D20 -86.39 2.33 -9.36 -0.92 0
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20697 585253 1 N3O4H7C9 A3B4C7D9 10.43 5.32 -9.23 -1.51 0
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20698 585264 1 O2C9H10 A2B9C10 -66.28 1.85 -9.98 -0.71 0
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20699 585265 1 SC9H10 AB9C10 13.73 2.05 -8.3 0.15 0
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20700 585267 1 NO2F6C16H19 AB2C6D16E19 -409.37 2.71 -9.29 -0.6 0
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20701 585278 2 ClNO2H6C8 ABC2D6E8 -109.39 2.85 -8.98 -0.99 0
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20702 585280 1 ON2C21H22 AB2C21D22 37.07 2.85 -8.13 -0.46 0
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20703 585281 1 O3C10H10 A3B10C10 -106.31 3.8 -9.02 -0.49 0
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20704 585282 1 SO2C11H14 AB2C11D14 -69.27 1.46 -8.67 0.1 0
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20705 585284 1 OSN3C20H23 ABC3D20E23 36.89 7.3 -8.85 -0.61 0
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20706 585304 1 F3N3O4C18H18 A3B3C4D18E18 -243.8 3.19 -8.75 -0.64 0
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20707 585315 2 ClNO2H7C8 ABC2D7E8 -75.96 5.09 -9.33 -0.75 0
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20708 585322 1 FSN2O2H9C15 ABC2D2E9F15 -30.29 2.36 -9.59 -1.99 0
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20709 585327 1 ON2S2C16H18 AB2C2D16E18 25.88 4.04 -8.53 -0.23 0
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20710 585330 1 NO4H19C23 AB4C19D23 -77.54 2.95 -8.77 -0.7 0
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20711 585341 2 OC10H17 AB10C17 -162.18 1.67 -9.97 0.92 0
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20712 585343 1 FO2C19H23 AB2C19D23 -144.16 1.8 -10.12 -0.81 0
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20713 585348 1 ClO2C15H23 AB2C15D23 -144.35 2.44 -10.29 0.41 0
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20714 585349 1 NO4C19H23 AB4C19D23 -100.57 5.01 -10.38 -1.89 0
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20715 585352 1 BrO2C18H29 AB2C18D29 -149.67 2.56 -10.23 -0.15 0
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20716 585361 2 Cl2O2C7H7 A2B2C7D7 -184.14 4.89 -9.7 -1.12 0
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20717 585362 1 NSCl2F3O3H8C13 ABC2D3E3F8G13 -243.65 4.07 -9.55 -1.17 0
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20718 585363 1 NSCl2O3H11C13 ABC2D3E11F13 -91.64 4.97 -9.43 -0.9 0
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20719 585364 1 PO5C8H15 AB5C8D15 -264.2 5.22 -10.78 -0.67 0
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20720 585365 3 NOC4H5 ABC4D5 -95.57 3.87 -8.51 -0.1 0
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20721 585366 1 SO2N3C13H13 AB2C3D13E13 -1.13 2.81 -9.35 -1.25 0
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20722 585367 1 N2O3C18H24 A2B3C18D24 -104.11 4.25 -8.99 -0.13 0
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20723 585369 1 S2N3O3C18H23 A2B3C3D18E23 -64.97 6.1 -9.67 -1.95 0
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20724 585370 1 ClNSO3C18H24 ABCD3E18F24 -128.27 4.69 -9.32 -0.87 0
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20725 585390 1 ClSN2O2H13C16 ABC2D2E13F16 -18.56 0.99 -9.41 -1.43 0
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20726 585391 1 NSO3C20H29 ABC3D20E29 -133.87 5.96 -9.39 -0.36 0
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20727 585392 1 NO4H15C18 AB4C15D18 -58.28 0.83 -8.99 -0.68 0
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20728 585393 1 O5C14H16 A5B14C16 -186.18 2.28 -8.87 -0.21 0
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20729 585412 2 N2O2H12C15 A2B2C12D15 41.32 8.63 -8.83 -0.83 0
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20730 585414 1 OSN2C19H26 ABC2D19E26 -35.19 3.84 -8.5 -0.02 0
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20731 585420 1 O2N5C8H11 A2B5C8D11 -17.51 4.9 -8.69 -0.79 0
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20732 585424 1 N2O6C19H20 A2B6C19D20 -134.29 5.8 -8.72 -0.28 0
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20733 585425 1 SnC10H24 AB10C24 -33.1 0.3 -8.91 1.11 0
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20735 585429 1 O3C10H12 A3B10C12 -113.08 5.82 -9.28 -0.28 0
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20736 585431 1 NO4C18H21 AB4C18D21 -121.84 4.31 -7.88 -0.37 0
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20737 585448 2 OC13H23 AB13C23 -190.63 1.87 -10.07 0.99 0
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20738 585451 2 OC8H12 AB8C12 -134.09 2.39 -10.2 0.96 0
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20739 585453 2 OC7H11 AB7C11 -135.08 2.29 -10.19 1.0 0
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20740 585454 2 OC12H21 AB12C21 -182.77 2.08 -10.16 1.0 0
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20741 585459 1 S2C9H10 A2B9C10 42.77 4.19 -8.74 -1.09 0
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20742 585463 1 ClN2O3C19H23 AB2C3D19E23 -66.61 6.33 -10.07 -1.84 0
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20743 585464 2 NC13H18 AB13C18 -38.41 2.15 -7.75 0.98 0